1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]butyl]pyrrolidine

Systemtic Name: 1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]butyl]pyrrolidine Openeye Name: 1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]butyl]pyrrolidine CAS Name: 1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]butyl]pyrrolidine IUPAC Name: 1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]butyl]pyrrolidine Traditional Name: 1-[4-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]butyl]pyrrolidine Formula: C30H33NO3S MolecularWeight: 487.65292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCCCN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCCCN5CCCC5

InChI

InChI=1S/C30H33NO3S/c1-32-24-12-10-22(11-13-24)30-29(27-15-14-25(33-2)21-28(27)35-30)23-8-7-9-26(20-23)34-19-6-5-18-31-16-3-4-17-31/h7-15,20-21H,3-6,16-19H2,1-2H3